5-ethenoxytridecane

C15H30O — CID 22145314

IUPAC5-ethenoxytridecane
SMILESC=COC(CCCC)CCCCCCCC
InChIInChI=1S/C15H30O/c1-4-7-9-10-11-12-14-15(16-6-3)13-8-5-2/h6,15H,3-5,7-14H2,1-2H3
InChIKeyKFTIMAXIPQBYFG-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.46
Rot. Bonds12

About 5-ethenoxytridecane

5-ethenoxytridecane (PubChem CID 22145314) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 5-ethenoxytridecane.

Molecular Properties

Compound Name5-ethenoxytridecane
PubChem CID22145314
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name5-ethenoxytridecane
SMILESC=COC(CCCC)CCCCCCCC
InChIInChI=1S/C15H30O/c1-4-7-9-10-11-12-14-15(16-6-3)13-8-5-2/h6,15H,3-5,7-14H2,1-2H3
InChIKeyKFTIMAXIPQBYFG-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenoxytridecane?
The IUPAC name of 5-ethenoxytridecane (CID 22145314) is 5-ethenoxytridecane.
What is the SMILES notation for 5-ethenoxytridecane?
The canonical SMILES for 5-ethenoxytridecane is C=COC(CCCC)CCCCCCCC.
What is the InChIKey of 5-ethenoxytridecane?
The InChIKey is KFTIMAXIPQBYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-7-9-10-11-12-14-15(16-6-3)13-8-5-2/h6,15H,3-5,7-14H2,1-2H3.
What are the key properties of 5-ethenoxytridecane?
5-ethenoxytridecane has a molecular weight of 226.40 g/mol, XLogP of 5.46, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxytridecane is sourced from PubChem (CID 22145314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).